(1R,5R)-2,6-dimethyl-8-methylidene-3-oxabicyclo[3.3.1]nonane

• ChemBase编号: 183580
• 分子式: C11H18O
• 平均质量: 166.26002
• 单一同位素质量: 166.1357652
• SMILES: C1(=C)[C@@H]2C[C@H](C(C1)C)COC2C
• Canonical SMILES: CC1CC(=C)[C@@H]2C[C@H]1COC2C
• InChI: InChI=1S/C11H18O/c1-7-4-8(2)11-5-10(7)6-12-9(11)3/h7,9-11H,2,4-6H2,1,3H3
• InChIKey: CHLVZIDTMFMLMP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (1R,5R)-2,6-dimethyl-8-methylidene-3-oxabicyclo[3.3.1]nonane
• IUPAC传统名: (1R,5R)-2,6-dimethyl-8-methylidene-3-oxabicyclo[3.3.1]nonane

登记号

• PubChem SID: 164239490
• PubChem CID: 42648527

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 2.3286715
• LogD (pH = 7.4): 2.3286715
• Log P: 2.3286715
• 摩尔折射率: 50.19 cm^3
• 极化性: 19.993267 Å^3
• 极化表面积: 9.23 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

产品相关信息

• 简要说明: Stereoisomers
• 分类: Rare Derivatives of Natural Compounds